3-chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid

3-chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261893-13-3

Formula: C14H10ClFO2

SMILES: CC1=CC=C(C=C1F)C1=CC=C(C(O)=O)C(Cl)=C1

IUPAC: 3-chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C14H10ClFO2/c1-8-2-3-10(7-13(8)16)9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18)

Composition: C (63.53%), H (3.81%), Cl (13.39%), F (7.18%), O (12.09%)

Molar Mass: 264.68

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.0353354
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XUTAVZFTNYZTEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.51
Topological Polar Surface Area	37.3
Polarizability	26.91
Ring Count	2
Rotatable Bond Count	2

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